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GTC ON-DEMAND

Quantum Chemistry
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VMD: GPU-accelerated Visualization and Analysis of Petascale Molecular Simulations
Abstract:

This talk will present recent successes in the use of GPUs to accelerate interactive molecular visualization and analysis tasks on hardware platforms ranging from commodity desktop computers to the latest Cray XK7 supercomputers. The talk will focus on recent algorithm algorithm developments and the applicability and efficient use of new CUDA features on state-of-the-art Kepler GPUs. Will present the latest performance results for GPU accelerated trajectory analysis runs on the Blue Waters Cray XK7 and other GPU-accelerated HPC platforms, and conclude with a discussion of ongoing work and future opportunities for GPU acceleration, particularly as applied to the analysis of petascale simulations of large biomolecular complexes and long simulation timescales.

 
Topics:
Quantum Chemistry, Large Scale Data Visualization & In-Situ Graphics
Type:
Talk
Event:
GTC Silicon Valley
Year:
2013
Session ID:
S3097
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